Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.41 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | WDR5 | P61964 | 1/20 | 0.34 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12734305 | 0.77 | PTPN22 (0.56) | HSD17B10CYP2A6ALDH1A1TSHRTDP1 | |
| SCHEMBL29952231 | 0.77 | PTPN22 (0.56) | HSD17B10CYP2A6ALDH1A1TSHRTDP1 | |
| SCHEMBL5432699 | 0.77 | CYP2A6 (0.46) | HSD17B10CYP2A6ALDH1A1TSHRTDP1 | |
| SCHEMBL29993985 | 0.75 | POLB (0.45) | HSD17B10CYP2A6ALDH1A1TSHRTDP1 | |
| SCHEMBL22584748 | 0.75 | HSD17B10 (0.44) | HSD17B10CYP2A6ALDH1A1TSHRTDP1 | |
| SCHEMBL29950886 | 0.75 | HSD17B10 (0.44) | HSD17B10CYP2A6ALDH1A1TSHRTDP1 | |
| SCHEMBL2151120 | 0.75 | TSHR (0.54) | HSD17B10CYP2A6ALDH1A1TSHRTDP1 | |
| SCHEMBL20984005 | 0.75 | HSD17B10 (0.44) | HSD17B10CYP2A6ALDH1A1TSHRTDP1 | |
| SCHEMBL29234084 | 0.75 | CYP2A6 (0.54) | HSD17B10CYP2A6ALDH1A1TSHRTDP1 | |
| SCHEMBL28958555 | 0.75 | ALDH1A1 (0.46) | HSD17B10CYP2A6ALDH1A1TSHRTDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108341757-B | Chiral amino acid ester compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2022-02-08 | — | — | CN | disclosed |
| EP-1628979-A1 | DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-01 | — | — | EP | disclosed |
| WO-2004101568-A1 | DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-11-25 | — | — | WO | disclosed |